2-phenyl-1H-indole-3-carbaldehyde

C15H11NO — CID 613305

IUPAC2-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,16H
InChIKeyIFIFXODAHZPTEY-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.65
Rot. Bonds2

About 2-phenyl-1H-indole-3-carbaldehyde

2-phenyl-1H-indole-3-carbaldehyde (PubChem CID 613305) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1H-indole-3-carbaldehyde
PubChem CID613305
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,16H
InChIKeyIFIFXODAHZPTEY-UHFFFAOYSA-N
XLogP3.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-phenyl-1H-indole-3-carbaldehyde (CID 613305) is 2-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-phenyl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is IFIFXODAHZPTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,16H.
What are the key properties of 2-phenyl-1H-indole-3-carbaldehyde?
2-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 613305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).